purvalanol B [Ligand Id: 7806] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL23254
  • neurotrophic receptor tyrosine kinase 2/BDNF/NT-3 growth factors receptor in Human [ChEMBL: CHEMBL4898] [GtoPdb: 1818] [UniProtKB: Q16620]
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  • cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493]
  • Cyclin-dependent kinase 1 in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL5213] [UniProtKB: P00546]
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  • cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
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  • cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535Q15078]
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  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
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  • neurotrophic receptor tyrosine kinase 1/High affinity nerve growth factor receptor in Human [ChEMBL: CHEMBL2815] [GtoPdb: 1817] [UniProtKB: P04629]
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  • mitogen-activated protein kinase 3/Mitogen-activated protein kinase 3 in Human [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
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  • protein kinase C alpha/Protein kinase C alpha type in Human [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
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  • protein kinase C beta/Protein kinase C beta type in Human [ChEMBL: CHEMBL3045] [GtoPdb: 1483] [UniProtKB: P05771]
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  • protein kinase C delta/Protein kinase C delta type in Human [ChEMBL: CHEMBL2996] [GtoPdb: 1485] [UniProtKB: Q05655]
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  • protein kinase C epsilon/Protein kinase C epsilon type in Human [ChEMBL: CHEMBL3582] [GtoPdb: 1486] [UniProtKB: Q02156]
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  • protein kinase C eta/Protein kinase C eta type in Human [ChEMBL: CHEMBL3616] [GtoPdb: 1487] [UniProtKB: P24723]
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  • protein kinase C gamma/Protein kinase C gamma type in Human [ChEMBL: CHEMBL2938] [GtoPdb: 1484] [UniProtKB: P05129]
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  • protein kinase C zeta/Protein kinase C zeta type in Human [ChEMBL: CHEMBL3438] [GtoPdb: 1491] [UniProtKB: Q05513]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
neurotrophic receptor tyrosine kinase 2/BDNF/NT-3 growth factors receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4898] [GtoPdb: 1818] [UniProtKB: Q16620]
ChEMBL Inhibition of TrkB (unknown origin) by cell-based assay B 5.89 pIC50 1300 nM IC50 Medchemcomm (2012) 3: 322-325
ChEMBL Inhibition of TrkB (unknown origin) B 7.96 pIC50 11 nM IC50 Medchemcomm (2012) 3: 322-325
Cdc2 in Patiria pectinifera (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5124] [UniProtKB: Q17066]
ChEMBL Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP B 6.6 pIC50 250 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
ChEMBL Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP B 7.3 pIC50 50 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
cyclin dependent kinase 2/CDK2/Cyclin A2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038469] [GtoPdb: 1973] [UniProtKB: P20248P24941]
GtoPdb CDK2/cyclin A complex used in assay - 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
ChEMBL Inhibition of recombinant CDK2/CycA (unknown origin) B 8.22 pIC50 6 nM IC50 Eur J Med Chem (2022) 240: 114603-114603 [PMID:35868123]
cyclin dependent kinase 1/Cyclin-dependent kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL308] [GtoPdb: 1961] [UniProtKB: P06493]
ChEMBL Binding affinity to cyclin-dependent kinase 1 (CDK1) B 4.7 pIC50 20000 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
Cyclin-dependent kinase 1 in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5213] [UniProtKB: P00546]
ChEMBL Inhibition of Saccharomyces cerevisiae cdc28 B 5.92 pIC50 1200 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961] [UniProtKB: O95067P06493P14635Q8WWL7]
ChEMBL Inhibition of cyclin dependent kinase 1-cyclinB B 8.22 pIC50 6 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
ChEMBL In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes B 8.22 pIC50 6 nM IC50 J Med Chem (2000) 43: 1282-1292 [PMID:10753466]
cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907602] [GtoPdb: 1961] [UniProtKB: P06493P14635]
ChEMBL Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP B 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941]
ChEMBL Inhibition of human cdk2/cyclin E B 8.05 pIC50 9 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
GtoPdb CDK2/cyclin A complex used in assay - 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
ChEMBL Inhibition of human cdk2/cyclin A B 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
cyclin dependent kinase 2/Cyclin-dependent kinase 2/cyclin A in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094128] [GtoPdb: 1973] [UniProtKB: P20248P24941P78396]
ChEMBL Inhibition of human CDK2/cyclinA using histone H1 as substrate incubated for 30 mins in presence of gamma[32P]ATP by phosphoimaging analysis B 7.3 pIC50 <50 nM IC50 Eur J Med Chem (2016) 112: 298-346 [PMID:26907156]
GtoPdb CDK2/cyclin A complex used in assay - 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
ChEMBL Inhibition of Cyclin A-cyclin-dependent kinase 2 B 8.22 pIC50 6 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
cyclin dependent kinase 2/Cyclin-dependent kinase 2/cyclin E in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094126] [GtoPdb: 1973] [UniProtKB: O96020P24864P24941]
ChEMBL Inhibition of Cyclin E-cyclin-dependent kinase 2 B 8.05 pIC50 9 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
GtoPdb CDK2/cyclin A complex used in assay - 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
cyclin dependent kinase 4/Cyclin-dependent kinase 4/cyclin D1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907601] [GtoPdb: 1976] [UniProtKB: P11802P24385]
GtoPdb CDK4/cyclin D1 complex used in assay - 5 pIC50 >10000 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
ChEMBL Inhibition of Cyclin D1-cyclin-dependent kinase 4 B 5 pIC50 >10000 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
ChEMBL Inhibition of human cdk4/cyclin D1 B 5 pIC50 >10000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535Q15078]
GtoPdb CDK5/p35 complex used in assay - 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-8 [PMID:9677190]
ChEMBL Inhibition of human cdk5/p35 B 8.22 pIC50 6 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
ChEMBL Inhibition of recombinant CDK5/p35 (unknown origin) B 8.22 pIC50 6 nM IC50 Eur J Med Chem (2022) 240: 114603-114603 [PMID:35868123]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Inhibition of human GSK3-beta B 5 pIC50 >10000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
neurotrophic receptor tyrosine kinase 1/High affinity nerve growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2815] [GtoPdb: 1817] [UniProtKB: P04629]
ChEMBL Inhibition of TrkA (unknown origin) by cell-based assay B 5.77 pIC50 1710 nM IC50 Medchemcomm (2012) 3: 322-325
ChEMBL Inhibition of TrkA (unknown origin) B 7.29 pIC50 51 nM IC50 Medchemcomm (2012) 3: 322-325
Insulin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1981] [GtoPdb: 1800] [UniProtKB: P06213]
ChEMBL Inhibition of human insulin receptor B 5.66 pIC50 2200 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
mitogen-activated protein kinase 3/Mitogen-activated protein kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3385] [GtoPdb: 1494] [UniProtKB: P27361]
ChEMBL Inhibition of human Erk1 B 5.48 pIC50 3333 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
ChEMBL Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1) B 5.48 pIC50 3300 nM IC50 J Med Chem (2002) 45: 2366-2378 [PMID:12036347]
protein kinase C alpha/Protein kinase C alpha type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
ChEMBL Inhibition of human PKCalpha B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C beta/Protein kinase C beta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3045] [GtoPdb: 1483] [UniProtKB: P05771]
ChEMBL Inhibition of human PKCbeta1 B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
ChEMBL Inhibition of human PKCbeta2 B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C delta/Protein kinase C delta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2996] [GtoPdb: 1485] [UniProtKB: Q05655]
ChEMBL Inhibition of human PKCdelta B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C epsilon/Protein kinase C epsilon type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3582] [GtoPdb: 1486] [UniProtKB: Q02156]
ChEMBL Inhibition of human PKCepsilon B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C eta/Protein kinase C eta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3616] [GtoPdb: 1487] [UniProtKB: P24723]
ChEMBL Inhibition of human PKCeta B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C gamma/Protein kinase C gamma type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2938] [GtoPdb: 1484] [UniProtKB: P05129]
ChEMBL Inhibition of human PKCgamma B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]
protein kinase C zeta/Protein kinase C zeta type in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3438] [GtoPdb: 1491] [UniProtKB: Q05513]
ChEMBL Inhibition of human PKCzeta B 4 pIC50 >100000 nM IC50 Science (1998) 281: 533-538 [PMID:9677190]

ChEMBL data shown on this page come from version 36:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]